[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholinosulfonylphenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(3-morpholinosulfonylphenyl)methanone Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C24H29N3O5S/c28-24(21-2-1-3-22(17-21)33(29,30)27-11-14-31-15-12-27)26-9-7-25(8-10-26)18-19-4-5-23-20(16-19)6-13-32-23/h1-5,16-17H,6-15,18H2/p+1